(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(4-fluorophenyl)-1-oxopropyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]proline Formula: C51H60FN7O8 MolecularWeight: 918.062603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC3=CC=C(C=C3)F)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CC=CC=C6)N)OC(C)(C)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)F)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CC=CC=C6)N)OC(C)(C)C

InChI

InChI=1S/C51H60FN7O8/c1-31(67-51(2,3)4)44(48(63)57-42(28-33-16-9-6-10-17-33)49(64)59-25-13-20-43(59)50(65)66)58-47(62)40(27-34-21-23-36(52)24-22-34)56-46(61)41(29-35-30-54-39-19-12-11-18-37(35)39)55-45(60)38(53)26-32-14-7-5-8-15-32/h5-12,14-19,21-24,30-31,38,40-44,54H,13,20,25-29,53H2,1-4H3,(H,55,60)(H,56,61)(H,57,63)(H,58,62)(H,65,66)/t31-,38+,40+,41-,42+,43+,44+/m1/s1